################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_CD79a_cyt__denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CD79a_cyt__denatured_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19645 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Denatured_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 . isotropic 19645 1 2 '3D HN(ca)CO' 1 . isotropic 19645 1 3 '3D HNCA' 1 . isotropic 19645 1 4 '3D HNCACB' 1 . isotropic 19645 1 5 '3D HNCO' . . isotropic 19645 1 6 '3D HN(CO)CA' 1 . isotropic 19645 1 7 '3D HN(COCA)CB' 1 . isotropic 19645 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $TANSY 2 $Automated_processing_analysis_and_validation 19645 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LEU C C 13 177.143 . . . . . . . 2 LEU C . 19645 1 2 . 1 1 2 2 LEU CA C 13 55.2146 . . . . . . . 2 LEU Ca . 19645 1 3 . 1 1 2 2 LEU CB C 13 42.6333 . . . . . . . 2 LEU Cb . 19645 1 4 . 1 1 3 3 ARG H H 1 8.57308 . . . . . . . 3 ARG H . 19645 1 5 . 1 1 3 3 ARG C C 13 176.28 . . . . . . . 3 ARG C . 19645 1 6 . 1 1 3 3 ARG CA C 13 56.0651 . . . . . . . 3 ARG Ca . 19645 1 7 . 1 1 3 3 ARG CB C 13 31.0036 . . . . . . . 3 ARG Cb . 19645 1 8 . 1 1 3 3 ARG N N 15 124.11 . . . . . . . 3 ARG N . 19645 1 9 . 1 1 4 4 LYS H H 1 8.50758 . . . . . . . 4 LYS H . 19645 1 10 . 1 1 4 4 LYS C C 13 176.527 . . . . . . . 4 LYS C . 19645 1 11 . 1 1 4 4 LYS CA C 13 56.3278 . . . . . . . 4 LYS Ca . 19645 1 12 . 1 1 4 4 LYS CB C 13 33.3721 . . . . . . . 4 LYS Cb . 19645 1 13 . 1 1 4 4 LYS N N 15 124.961 . . . . . . . 4 LYS N . 19645 1 14 . 1 1 5 5 ARG H H 1 8.51546 . . . . . . . 5 ARG H . 19645 1 15 . 1 1 5 5 ARG C C 13 176.195 . . . . . . . 5 ARG C . 19645 1 16 . 1 1 5 5 ARG CA C 13 56.3454 . . . . . . . 5 ARG Ca . 19645 1 17 . 1 1 5 5 ARG CB C 13 31.0429 . . . . . . . 5 ARG Cb . 19645 1 18 . 1 1 5 5 ARG N N 15 124.067 . . . . . . . 5 ARG N . 19645 1 19 . 1 1 6 6 TRP H H 1 8.34494 . . . . . . . 6 TRP H . 19645 1 20 . 1 1 6 6 TRP C C 13 176.33 . . . . . . . 6 TRP C . 19645 1 21 . 1 1 6 6 TRP CA C 13 57.1469 . . . . . . . 6 TRP Ca . 19645 1 22 . 1 1 6 6 TRP CB C 13 29.842 . . . . . . . 6 TRP Cb . 19645 1 23 . 1 1 6 6 TRP N N 15 123.438 . . . . . . . 6 TRP N . 19645 1 24 . 1 1 7 7 GLN H H 1 8.36563 . . . . . . . 7 GLN H . 19645 1 25 . 1 1 7 7 GLN C C 13 175.478 . . . . . . . 7 GLN C . 19645 1 26 . 1 1 7 7 GLN CA C 13 56.1859 . . . . . . . 7 GLN Ca . 19645 1 27 . 1 1 7 7 GLN CB C 13 29.5941 . . . . . . . 7 GLN Cb . 19645 1 28 . 1 1 7 7 GLN N N 15 122.965 . . . . . . . 7 GLN N . 19645 1 29 . 1 1 8 8 ASN H H 1 8.34321 . . . . . . . 8 ASN H . 19645 1 30 . 1 1 8 8 ASN C C 13 175.28 . . . . . . . 8 ASN C . 19645 1 31 . 1 1 8 8 ASN CA C 13 53.419 . . . . . . . 8 ASN Ca . 19645 1 32 . 1 1 8 8 ASN CB C 13 38.825 . . . . . . . 8 ASN Cb . 19645 1 33 . 1 1 8 8 ASN N N 15 120.208 . . . . . . . 8 ASN N . 19645 1 34 . 1 1 9 9 GLU H H 1 8.45306 . . . . . . . 9 GLU H . 19645 1 35 . 1 1 9 9 GLU C C 13 176.368 . . . . . . . 9 GLU C . 19645 1 36 . 1 1 9 9 GLU CA C 13 57.1473 . . . . . . . 9 GLU Ca . 19645 1 37 . 1 1 9 9 GLU CB C 13 30.4107 . . . . . . . 9 GLU Cb . 19645 1 38 . 1 1 9 9 GLU N N 15 122.484 . . . . . . . 9 GLU N . 19645 1 39 . 1 1 10 10 LYS H H 1 8.36505 . . . . . . . 10 LYS H . 19645 1 40 . 1 1 10 10 LYS C C 13 176.468 . . . . . . . 10 LYS C . 19645 1 41 . 1 1 10 10 LYS CA C 13 56.4318 . . . . . . . 10 LYS Ca . 19645 1 42 . 1 1 10 10 LYS CB C 13 32.9118 . . . . . . . 10 LYS Cb . 19645 1 43 . 1 1 10 10 LYS N N 15 122.991 . . . . . . . 10 LYS N . 19645 1 44 . 1 1 11 11 LEU H H 1 8.23958 . . . . . . . 11 LEU H . 19645 1 45 . 1 1 11 11 LEU C C 13 177.802 . . . . . . . 11 LEU C . 19645 1 46 . 1 1 11 11 LEU CA C 13 55.1317 . . . . . . . 11 LEU Ca . 19645 1 47 . 1 1 11 11 LEU CB C 13 42.6713 . . . . . . . 11 LEU Cb . 19645 1 48 . 1 1 11 11 LEU N N 15 124.101 . . . . . . . 11 LEU N . 19645 1 49 . 1 1 12 12 GLY H H 1 8.39151 . . . . . . . 12 GLY H . 19645 1 50 . 1 1 12 12 GLY C C 13 174.166 . . . . . . . 12 GLY C . 19645 1 51 . 1 1 12 12 GLY CA C 13 45.2984 . . . . . . . 12 GLY Ca . 19645 1 52 . 1 1 12 12 GLY N N 15 110.541 . . . . . . . 12 GLY N . 19645 1 53 . 1 1 13 13 LEU H H 1 8.1528 . . . . . . . 13 LEU H . 19645 1 54 . 1 1 13 13 LEU C C 13 177.302 . . . . . . . 13 LEU C . 19645 1 55 . 1 1 13 13 LEU CA C 13 55.2799 . . . . . . . 13 LEU Ca . 19645 1 56 . 1 1 13 13 LEU CB C 13 42.605 . . . . . . . 13 LEU Cb . 19645 1 57 . 1 1 13 13 LEU N N 15 122.434 . . . . . . . 13 LEU N . 19645 1 58 . 1 1 14 14 ASP H H 1 8.49193 . . . . . . . 14 ASP H . 19645 1 59 . 1 1 14 14 ASP C C 13 176.031 . . . . . . . 14 ASP C . 19645 1 60 . 1 1 14 14 ASP CA C 13 54.1842 . . . . . . . 14 ASP Ca . 19645 1 61 . 1 1 14 14 ASP CB C 13 41.4 . . . . . . . 14 ASP Cb . 19645 1 62 . 1 1 14 14 ASP N N 15 121.945 . . . . . . . 14 ASP N . 19645 1 63 . 1 1 15 15 ALA H H 1 8.24079 . . . . . . . 15 ALA H . 19645 1 64 . 1 1 15 15 ALA C C 13 178.174 . . . . . . . 15 ALA C . 19645 1 65 . 1 1 15 15 ALA CA C 13 52.9324 . . . . . . . 15 ALA Ca . 19645 1 66 . 1 1 15 15 ALA CB C 13 19.4192 . . . . . . . 15 ALA Cb . 19645 1 67 . 1 1 15 15 ALA N N 15 125.257 . . . . . . . 15 ALA N . 19645 1 68 . 1 1 16 16 GLY H H 1 8.40589 . . . . . . . 16 GLY H . 19645 1 69 . 1 1 16 16 GLY C C 13 173.993 . . . . . . . 16 GLY C . 19645 1 70 . 1 1 16 16 GLY CA C 13 45.245 . . . . . . . 16 GLY Ca . 19645 1 71 . 1 1 16 16 GLY N N 15 108.915 . . . . . . . 16 GLY N . 19645 1 72 . 1 1 17 17 ASP H H 1 8.21148 . . . . . . . 17 ASP H . 19645 1 73 . 1 1 17 17 ASP C C 13 176.316 . . . . . . . 17 ASP C . 19645 1 74 . 1 1 17 17 ASP CA C 13 54.4028 . . . . . . . 17 ASP Ca . 19645 1 75 . 1 1 17 17 ASP CB C 13 41.5964 . . . . . . . 17 ASP Cb . 19645 1 76 . 1 1 17 17 ASP N N 15 121.335 . . . . . . . 17 ASP N . 19645 1 77 . 1 1 18 18 GLU H H 1 8.45631 . . . . . . . 18 GLU H . 19645 1 78 . 1 1 18 18 GLU C C 13 176.112 . . . . . . . 18 GLU C . 19645 1 79 . 1 1 18 18 GLU CA C 13 56.7142 . . . . . . . 18 GLU Ca . 19645 1 80 . 1 1 18 18 GLU CB C 13 30.457 . . . . . . . 18 GLU Cb . 19645 1 81 . 1 1 18 18 GLU N N 15 121.669 . . . . . . . 18 GLU N . 19645 1 82 . 1 1 19 19 TYR H H 1 8.25744 . . . . . . . 19 TYR H . 19645 1 83 . 1 1 19 19 TYR C C 13 175.682 . . . . . . . 19 TYR C . 19645 1 84 . 1 1 19 19 TYR CA C 13 57.8839 . . . . . . . 19 TYR Ca . 19645 1 85 . 1 1 19 19 TYR CB C 13 39.0659 . . . . . . . 19 TYR Cb . 19645 1 86 . 1 1 19 19 TYR N N 15 121.994 . . . . . . . 19 TYR N . 19645 1 87 . 1 1 20 20 GLU H H 1 8.28933 . . . . . . . 20 GLU H . 19645 1 88 . 1 1 20 20 GLU C C 13 175.733 . . . . . . . 20 GLU C . 19645 1 89 . 1 1 20 20 GLU CA C 13 56.1761 . . . . . . . 20 GLU Ca . 19645 1 90 . 1 1 20 20 GLU CB C 13 30.9678 . . . . . . . 20 GLU Cb . 19645 1 91 . 1 1 20 20 GLU N N 15 123.986 . . . . . . . 20 GLU N . 19645 1 92 . 1 1 21 21 ASP H H 1 8.38827 . . . . . . . 21 ASP H . 19645 1 93 . 1 1 21 21 ASP C C 13 176.46 . . . . . . . 21 ASP C . 19645 1 94 . 1 1 21 21 ASP CA C 13 54.3593 . . . . . . . 21 ASP Ca . 19645 1 95 . 1 1 21 21 ASP CB C 13 41.4928 . . . . . . . 21 ASP Cb . 19645 1 96 . 1 1 21 21 ASP N N 15 123.125 . . . . . . . 21 ASP N . 19645 1 97 . 1 1 22 22 GLU H H 1 8.53728 . . . . . . . 22 GLU H . 19645 1 98 . 1 1 22 22 GLU C C 13 176.399 . . . . . . . 22 GLU C . 19645 1 99 . 1 1 22 22 GLU CA C 13 57.0079 . . . . . . . 22 GLU Ca . 19645 1 100 . 1 1 22 22 GLU CB C 13 30.4067 . . . . . . . 22 GLU Cb . 19645 1 101 . 1 1 22 22 GLU N N 15 123.195 . . . . . . . 22 GLU N . 19645 1 102 . 1 1 23 23 ASN H H 1 8.57865 . . . . . . . 23 ASN H . 19645 1 103 . 1 1 23 23 ASN C C 13 175.216 . . . . . . . 23 ASN C . 19645 1 104 . 1 1 23 23 ASN CA C 13 53.3935 . . . . . . . 23 ASN Ca . 19645 1 105 . 1 1 23 23 ASN CB C 13 38.8175 . . . . . . . 23 ASN Cb . 19645 1 106 . 1 1 23 23 ASN N N 15 120.594 . . . . . . . 23 ASN N . 19645 1 107 . 1 1 24 24 LEU H H 1 8.0945 . . . . . . . 24 LEU H . 19645 1 108 . 1 1 24 24 LEU C C 13 177.093 . . . . . . . 24 LEU C . 19645 1 109 . 1 1 24 24 LEU CA C 13 55.4242 . . . . . . . 24 LEU Ca . 19645 1 110 . 1 1 24 24 LEU CB C 13 42.3304 . . . . . . . 24 LEU Cb . 19645 1 111 . 1 1 24 24 LEU N N 15 123.349 . . . . . . . 24 LEU N . 19645 1 112 . 1 1 25 25 TYR H H 1 8.19896 . . . . . . . 25 TYR H . 19645 1 113 . 1 1 25 25 TYR C C 13 175.905 . . . . . . . 25 TYR C . 19645 1 114 . 1 1 25 25 TYR CA C 13 57.8799 . . . . . . . 25 TYR Ca . 19645 1 115 . 1 1 25 25 TYR CB C 13 38.8365 . . . . . . . 25 TYR Cb . 19645 1 116 . 1 1 25 25 TYR N N 15 121.365 . . . . . . . 25 TYR N . 19645 1 117 . 1 1 26 26 GLU H H 1 8.27579 . . . . . . . 26 GLU H . 19645 1 118 . 1 1 26 26 GLU C C 13 176.668 . . . . . . . 26 GLU C . 19645 1 119 . 1 1 26 26 GLU CA C 13 56.6235 . . . . . . . 26 GLU Ca . 19645 1 120 . 1 1 26 26 GLU CB C 13 30.5518 . . . . . . . 26 GLU Cb . 19645 1 121 . 1 1 26 26 GLU N N 15 123.998 . . . . . . . 26 GLU N . 19645 1 122 . 1 1 27 27 GLY H H 1 7.9907 . . . . . . . 27 GLY H . 19645 1 123 . 1 1 27 27 GLY C C 13 173.761 . . . . . . . 27 GLY C . 19645 1 124 . 1 1 27 27 GLY CA C 13 45.3174 . . . . . . . 27 GLY Ca . 19645 1 125 . 1 1 27 27 GLY N N 15 110.47 . . . . . . . 27 GLY N . 19645 1 126 . 1 1 28 28 LEU H H 1 8.0714 . . . . . . . 28 LEU H . 19645 1 127 . 1 1 28 28 LEU C C 13 176.961 . . . . . . . 28 LEU C . 19645 1 128 . 1 1 28 28 LEU CA C 13 55.0529 . . . . . . . 28 LEU Ca . 19645 1 129 . 1 1 28 28 LEU CB C 13 42.8716 . . . . . . . 28 LEU Cb . 19645 1 130 . 1 1 28 28 LEU N N 15 122.134 . . . . . . . 28 LEU N . 19645 1 131 . 1 1 29 29 ASN H H 1 8.67902 . . . . . . . 29 ASN H . 19645 1 132 . 1 1 29 29 ASN C C 13 175.403 . . . . . . . 29 ASN C . 19645 1 133 . 1 1 29 29 ASN CA C 13 53.0132 . . . . . . . 29 ASN Ca . 19645 1 134 . 1 1 29 29 ASN CB C 13 38.7589 . . . . . . . 29 ASN Cb . 19645 1 135 . 1 1 29 29 ASN N N 15 121.49 . . . . . . . 29 ASN N . 19645 1 136 . 1 1 30 30 LEU H H 1 8.38218 . . . . . . . 30 LEU H . 19645 1 137 . 1 1 30 30 LEU C C 13 177.356 . . . . . . . 30 LEU C . 19645 1 138 . 1 1 30 30 LEU CA C 13 55.3958 . . . . . . . 30 LEU Ca . 19645 1 139 . 1 1 30 30 LEU CB C 13 42.2627 . . . . . . . 30 LEU Cb . 19645 1 140 . 1 1 30 30 LEU N N 15 124.53 . . . . . . . 30 LEU N . 19645 1 141 . 1 1 31 31 ASP H H 1 8.34873 . . . . . . . 31 ASP H . 19645 1 142 . 1 1 31 31 ASP C C 13 176.166 . . . . . . . 31 ASP C . 19645 1 143 . 1 1 31 31 ASP CA C 13 54.6247 . . . . . . . 31 ASP Ca . 19645 1 144 . 1 1 31 31 ASP CB C 13 41.245 . . . . . . . 31 ASP Cb . 19645 1 145 . 1 1 31 31 ASP N N 15 121.348 . . . . . . . 31 ASP N . 19645 1 146 . 1 1 32 32 ASP H H 1 8.20093 . . . . . . . 32 ASP H . 19645 1 147 . 1 1 32 32 ASP C C 13 176.538 . . . . . . . 32 ASP C . 19645 1 148 . 1 1 32 32 ASP CA C 13 54.3728 . . . . . . . 32 ASP Ca . 19645 1 149 . 1 1 32 32 ASP CB C 13 41.3165 . . . . . . . 32 ASP Cb . 19645 1 150 . 1 1 32 32 ASP N N 15 121.497 . . . . . . . 32 ASP N . 19645 1 151 . 1 1 33 33 CYS H H 1 8.36494 . . . . . . . 33 CYS H . 19645 1 152 . 1 1 33 33 CYS C C 13 175.086 . . . . . . . 33 CYS C . 19645 1 153 . 1 1 33 33 CYS CA C 13 58.8798 . . . . . . . 33 CYS Ca . 19645 1 154 . 1 1 33 33 CYS CB C 13 28.0604 . . . . . . . 33 CYS Cb . 19645 1 155 . 1 1 33 33 CYS N N 15 120.811 . . . . . . . 33 CYS N . 19645 1 156 . 1 1 34 34 SER H H 1 8.47427 . . . . . . . 34 SER H . 19645 1 157 . 1 1 34 34 SER C C 13 174.781 . . . . . . . 34 SER C . 19645 1 158 . 1 1 34 34 SER CA C 13 59.2842 . . . . . . . 34 SER Ca . 19645 1 159 . 1 1 34 34 SER CB C 13 63.7538 . . . . . . . 34 SER Cb . 19645 1 160 . 1 1 34 34 SER N N 15 119.275 . . . . . . . 34 SER N . 19645 1 161 . 1 1 35 35 MET H H 1 8.2856 . . . . . . . 35 MET H . 19645 1 162 . 1 1 35 35 MET C C 13 175.901 . . . . . . . 35 MET C . 19645 1 163 . 1 1 35 35 MET CA C 13 55.9398 . . . . . . . 35 MET Ca . 19645 1 164 . 1 1 35 35 MET CB C 13 32.7076 . . . . . . . 35 MET Cb . 19645 1 165 . 1 1 35 35 MET N N 15 122.657 . . . . . . . 35 MET N . 19645 1 166 . 1 1 36 36 TYR H H 1 8.08493 . . . . . . . 36 TYR H . 19645 1 167 . 1 1 36 36 TYR C C 13 175.748 . . . . . . . 36 TYR C . 19645 1 168 . 1 1 36 36 TYR CA C 13 57.945 . . . . . . . 36 TYR Ca . 19645 1 169 . 1 1 36 36 TYR CB C 13 38.945 . . . . . . . 36 TYR Cb . 19645 1 170 . 1 1 36 36 TYR N N 15 121.727 . . . . . . . 36 TYR N . 19645 1 171 . 1 1 37 37 GLU H H 1 8.24545 . . . . . . . 37 GLU H . 19645 1 172 . 1 1 37 37 GLU C C 13 175.767 . . . . . . . 37 GLU C . 19645 1 173 . 1 1 37 37 GLU CA C 13 56.398 . . . . . . . 37 GLU Ca . 19645 1 174 . 1 1 37 37 GLU CB C 13 30.9115 . . . . . . . 37 GLU Cb . 19645 1 175 . 1 1 37 37 GLU N N 15 123.45 . . . . . . . 37 GLU N . 19645 1 176 . 1 1 38 38 ASP H H 1 8.44375 . . . . . . . 38 ASP H . 19645 1 177 . 1 1 38 38 ASP C C 13 176.797 . . . . . . . 38 ASP C . 19645 1 178 . 1 1 38 38 ASP CA C 13 54.1761 . . . . . . . 38 ASP Ca . 19645 1 179 . 1 1 38 38 ASP CB C 13 41.2328 . . . . . . . 38 ASP Cb . 19645 1 180 . 1 1 38 38 ASP N N 15 123.132 . . . . . . . 38 ASP N . 19645 1 181 . 1 1 39 39 ILE H H 1 8.15522 . . . . . . . 39 ILE H . 19645 1 182 . 1 1 39 39 ILE C C 13 176.75 . . . . . . . 39 ILE C . 19645 1 183 . 1 1 39 39 ILE CA C 13 61.7584 . . . . . . . 39 ILE Ca . 19645 1 184 . 1 1 39 39 ILE CB C 13 38.749 . . . . . . . 39 ILE Cb . 19645 1 185 . 1 1 39 39 ILE N N 15 122.421 . . . . . . . 39 ILE N . 19645 1 186 . 1 1 40 40 SER H H 1 8.43022 . . . . . . . 40 SER H . 19645 1 187 . 1 1 40 40 SER C C 13 175.077 . . . . . . . 40 SER C . 19645 1 188 . 1 1 40 40 SER CA C 13 59.168 . . . . . . . 40 SER Ca . 19645 1 189 . 1 1 40 40 SER CB C 13 63.7098 . . . . . . . 40 SER Cb . 19645 1 190 . 1 1 40 40 SER N N 15 119.847 . . . . . . . 40 SER N . 19645 1 191 . 1 1 41 41 ARG H H 1 8.21422 . . . . . . . 41 ARG H . 19645 1 192 . 1 1 41 41 ARG C C 13 176.87 . . . . . . . 41 ARG C . 19645 1 193 . 1 1 41 41 ARG CA C 13 56.4933 . . . . . . . 41 ARG Ca . 19645 1 194 . 1 1 41 41 ARG CB C 13 30.8545 . . . . . . . 41 ARG Cb . 19645 1 195 . 1 1 41 41 ARG N N 15 123.722 . . . . . . . 41 ARG N . 19645 1 196 . 1 1 42 42 GLY H H 1 8.27199 . . . . . . . 42 GLY H . 19645 1 197 . 1 1 42 42 GLY C C 13 174.174 . . . . . . . 42 GLY C . 19645 1 198 . 1 1 42 42 GLY CA C 13 45.2842 . . . . . . . 42 GLY Ca . 19645 1 199 . 1 1 42 42 GLY N N 15 109.949 . . . . . . . 42 GLY N . 19645 1 200 . 1 1 43 43 LEU H H 1 8.14747 . . . . . . . 43 LEU H . 19645 1 201 . 1 1 43 43 LEU C C 13 177.712 . . . . . . . 43 LEU C . 19645 1 202 . 1 1 43 43 LEU CA C 13 55.238 . . . . . . . 43 LEU Ca . 19645 1 203 . 1 1 43 43 LEU CB C 13 42.4138 . . . . . . . 43 LEU Cb . 19645 1 204 . 1 1 43 43 LEU N N 15 122.434 . . . . . . . 43 LEU N . 19645 1 205 . 1 1 44 44 GLN H H 1 8.53967 . . . . . . . 44 GLN H . 19645 1 206 . 1 1 44 44 GLN C C 13 176.583 . . . . . . . 44 GLN C . 19645 1 207 . 1 1 44 44 GLN CA C 13 56.1257 . . . . . . . 44 GLN Ca . 19645 1 208 . 1 1 44 44 GLN CB C 13 29.6255 . . . . . . . 44 GLN Cb . 19645 1 209 . 1 1 44 44 GLN N N 15 122.281 . . . . . . . 44 GLN N . 19645 1 210 . 1 1 45 45 GLY H H 1 8.46534 . . . . . . . 45 GLY H . 19645 1 211 . 1 1 45 45 GLY C C 13 174.128 . . . . . . . 45 GLY C . 19645 1 212 . 1 1 45 45 GLY CA C 13 45.2982 . . . . . . . 45 GLY Ca . 19645 1 213 . 1 1 45 45 GLY N N 15 111.168 . . . . . . . 45 GLY N . 19645 1 214 . 1 1 46 46 THR H H 1 8.06736 . . . . . . . 46 THR H . 19645 1 215 . 1 1 46 46 THR C C 13 174.455 . . . . . . . 46 THR C . 19645 1 216 . 1 1 46 46 THR CA C 13 61.7773 . . . . . . . 46 THR Ca . 19645 1 217 . 1 1 46 46 THR CB C 13 70.272 . . . . . . . 46 THR Cb . 19645 1 218 . 1 1 46 46 THR N N 15 114.385 . . . . . . . 46 THR N . 19645 1 219 . 1 1 47 47 TYR H H 1 8.35266 . . . . . . . 47 TYR H . 19645 1 220 . 1 1 47 47 TYR C C 13 175.562 . . . . . . . 47 TYR C . 19645 1 221 . 1 1 47 47 TYR CA C 13 58.1065 . . . . . . . 47 TYR Ca . 19645 1 222 . 1 1 47 47 TYR CB C 13 38.945 . . . . . . . 47 TYR Cb . 19645 1 223 . 1 1 47 47 TYR N N 15 123.803 . . . . . . . 47 TYR N . 19645 1 224 . 1 1 48 48 GLN H H 1 8.25337 . . . . . . . 48 GLN H . 19645 1 225 . 1 1 48 48 GLN C C 13 175.055 . . . . . . . 48 GLN C . 19645 1 226 . 1 1 48 48 GLN CA C 13 55.4909 . . . . . . . 48 GLN Ca . 19645 1 227 . 1 1 48 48 GLN CB C 13 30.053 . . . . . . . 48 GLN Cb . 19645 1 228 . 1 1 48 48 GLN N N 15 123.66 . . . . . . . 48 GLN N . 19645 1 229 . 1 1 49 49 ASP H H 1 8.39389 . . . . . . . 49 ASP H . 19645 1 230 . 1 1 49 49 ASP C C 13 176.559 . . . . . . . 49 ASP C . 19645 1 231 . 1 1 49 49 ASP CA C 13 54.2054 . . . . . . . 49 ASP Ca . 19645 1 232 . 1 1 49 49 ASP CB C 13 41.445 . . . . . . . 49 ASP Cb . 19645 1 233 . 1 1 49 49 ASP N N 15 123.519 . . . . . . . 49 ASP N . 19645 1 234 . 1 1 50 50 VAL H H 1 8.19469 . . . . . . . 50 VAL H . 19645 1 235 . 1 1 50 50 VAL C C 13 176.875 . . . . . . . 50 VAL C . 19645 1 236 . 1 1 50 50 VAL CA C 13 62.6259 . . . . . . . 50 VAL Ca . 19645 1 237 . 1 1 50 50 VAL CB C 13 32.4845 . . . . . . . 50 VAL Cb . 19645 1 238 . 1 1 50 50 VAL N N 15 121.239 . . . . . . . 50 VAL N . 19645 1 239 . 1 1 51 51 GLY H H 1 8.47985 . . . . . . . 51 GLY H . 19645 1 240 . 1 1 51 51 GLY C C 13 174.305 . . . . . . . 51 GLY C . 19645 1 241 . 1 1 51 51 GLY CA C 13 45.4125 . . . . . . . 51 GLY Ca . 19645 1 242 . 1 1 51 51 GLY N N 15 112.599 . . . . . . . 51 GLY N . 19645 1 243 . 1 1 52 52 SER H H 1 8.16282 . . . . . . . 52 SER H . 19645 1 244 . 1 1 52 52 SER C C 13 174.628 . . . . . . . 52 SER C . 19645 1 245 . 1 1 52 52 SER CA C 13 58.3982 . . . . . . . 52 SER Ca . 19645 1 246 . 1 1 52 52 SER CB C 13 64.0146 . . . . . . . 52 SER Cb . 19645 1 247 . 1 1 52 52 SER N N 15 116.449 . . . . . . . 52 SER N . 19645 1 248 . 1 1 53 53 LEU H H 1 8.28118 . . . . . . . 53 LEU H . 19645 1 249 . 1 1 53 53 LEU C C 13 177.027 . . . . . . . 53 LEU C . 19645 1 250 . 1 1 53 53 LEU CA C 13 55.2583 . . . . . . . 53 LEU Ca . 19645 1 251 . 1 1 53 53 LEU CB C 13 42.6365 . . . . . . . 53 LEU Cb . 19645 1 252 . 1 1 53 53 LEU N N 15 124.718 . . . . . . . 53 LEU N . 19645 1 253 . 1 1 54 54 ASN H H 1 8.5506 . . . . . . . 54 ASN H . 19645 1 254 . 1 1 54 54 ASN C C 13 175.315 . . . . . . . 54 ASN C . 19645 1 255 . 1 1 54 54 ASN CA C 13 53.0974 . . . . . . . 54 ASN Ca . 19645 1 256 . 1 1 54 54 ASN CB C 13 38.8475 . . . . . . . 54 ASN Cb . 19645 1 257 . 1 1 54 54 ASN N N 15 121.264 . . . . . . . 54 ASN N . 19645 1 258 . 1 1 55 55 ILE H H 1 8.18466 . . . . . . . 55 ILE H . 19645 1 259 . 1 1 55 55 ILE C C 13 176.657 . . . . . . . 55 ILE C . 19645 1 260 . 1 1 55 55 ILE CA C 13 61.647 . . . . . . . 55 ILE Ca . 19645 1 261 . 1 1 55 55 ILE CB C 13 38.7672 . . . . . . . 55 ILE Cb . 19645 1 262 . 1 1 55 55 ILE N N 15 122.254 . . . . . . . 55 ILE N . 19645 1 263 . 1 1 56 56 GLY H H 1 8.41546 . . . . . . . 56 GLY H . 19645 1 264 . 1 1 56 56 GLY C C 13 173.805 . . . . . . . 56 GLY C . 19645 1 265 . 1 1 56 56 GLY CA C 13 45.1245 . . . . . . . 56 GLY Ca . 19645 1 266 . 1 1 56 56 GLY N N 15 113.025 . . . . . . . 56 GLY N . 19645 1 267 . 1 1 57 57 ASP H H 1 8.21904 . . . . . . . 57 ASP H . 19645 1 268 . 1 1 57 57 ASP C C 13 176.447 . . . . . . . 57 ASP C . 19645 1 269 . 1 1 57 57 ASP CA C 13 54.3796 . . . . . . . 57 ASP Ca . 19645 1 270 . 1 1 57 57 ASP CB C 13 41.4051 . . . . . . . 57 ASP Cb . 19645 1 271 . 1 1 57 57 ASP N N 15 121.692 . . . . . . . 57 ASP N . 19645 1 272 . 1 1 58 58 VAL H H 1 8.11586 . . . . . . . 58 VAL H . 19645 1 273 . 1 1 58 58 VAL C C 13 176.082 . . . . . . . 58 VAL C . 19645 1 274 . 1 1 58 58 VAL CA C 13 62.4318 . . . . . . . 58 VAL Ca . 19645 1 275 . 1 1 58 58 VAL CB C 13 32.9733 . . . . . . . 58 VAL Cb . 19645 1 276 . 1 1 58 58 VAL N N 15 121.361 . . . . . . . 58 VAL N . 19645 1 277 . 1 1 59 59 GLN H H 1 8.53493 . . . . . . . 59 GLN H . 19645 1 278 . 1 1 59 59 GLN C C 13 175.822 . . . . . . . 59 GLN C . 19645 1 279 . 1 1 59 59 GLN CA C 13 55.5954 . . . . . . . 59 GLN Ca . 19645 1 280 . 1 1 59 59 GLN CB C 13 29.4798 . . . . . . . 59 GLN Cb . 19645 1 281 . 1 1 59 59 GLN N N 15 125.458 . . . . . . . 59 GLN N . 19645 1 282 . 1 1 60 60 LEU H H 1 8.35539 . . . . . . . 60 LEU H . 19645 1 283 . 1 1 60 60 LEU C C 13 177.378 . . . . . . . 60 LEU C . 19645 1 284 . 1 1 60 60 LEU CA C 13 55.0817 . . . . . . . 60 LEU Ca . 19645 1 285 . 1 1 60 60 LEU CB C 13 42.6453 . . . . . . . 60 LEU Cb . 19645 1 286 . 1 1 60 60 LEU N N 15 125.414 . . . . . . . 60 LEU N . 19645 1 287 . 1 1 61 61 GLU H H 1 8.47982 . . . . . . . 61 GLU H . 19645 1 288 . 1 1 61 61 GLU C C 13 176.15 . . . . . . . 61 GLU C . 19645 1 289 . 1 1 61 61 GLU CA C 13 56.4789 . . . . . . . 61 GLU Ca . 19645 1 290 . 1 1 61 61 GLU CB C 13 30.4847 . . . . . . . 61 GLU Cb . 19645 1 291 . 1 1 61 61 GLU N N 15 123.11 . . . . . . . 61 GLU N . 19645 1 292 . 1 1 62 62 LYS H H 1 8.42695 . . . . . . . 62 LYS H . 19645 1 293 . 1 1 62 62 LYS N N 15 125.148 . . . . . . . 62 LYS N . 19645 1 stop_ save_